5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine

C12H10ClN5S — CID 62886720

IUPAC5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine
SMILESNc1ccc(Cl)c(CSc2nnc3ccccn23)n1
InChIInChI=1S/C12H10ClN5S/c13-8-4-5-10(14)15-9(8)7-19-12-17-16-11-3-1-2-6-18(11)12/h1-6H,7H2,(H2,14,15)
InChIKeyBSEZUXDUPZBQCI-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.65
Rot. Bonds3

About 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine

5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 62886720) has the molecular formula C12H10ClN5S and a molecular weight of 291.77 g/mol. Its IUPAC name is 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine
PubChem CID62886720
Molecular FormulaC12H10ClN5S
Molecular Weight291.77 g/mol
Exact Mass291.03
IUPAC Name5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine
SMILESNc1ccc(Cl)c(CSc2nnc3ccccn23)n1
InChIInChI=1S/C12H10ClN5S/c13-8-4-5-10(14)15-9(8)7-19-12-17-16-11-3-1-2-6-18(11)12/h1-6H,7H2,(H2,14,15)
InChIKeyBSEZUXDUPZBQCI-UHFFFAOYSA-N
XLogP2.65
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)phenyl]methanamine
CID 62848938
3-[(5-bromo-2-pyridinyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 115622316
[5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062084
2-bromo-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)aniline
CID 115558374
3-[2-(chloromethyl)prop-2-enylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 103066297
2-(4-chlorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole
CID 39599651
5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62886003
N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
CID 103060119
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-benzoxazol-5-amine
CID 79960380
5-chloro-6-[(3-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62886010
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 18128609

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine (CID 62886720) is 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine is Nc1ccc(Cl)c(CSc2nnc3ccccn23)n1.
What is the InChIKey of 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is BSEZUXDUPZBQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5S/c13-8-4-5-10(14)15-9(8)7-19-12-17-16-11-3-1-2-6-18(11)12/h1-6H,7H2,(H2,14,15).
What are the key properties of 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine?
5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 291.77 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 62886720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).